Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 11/20 | 0.66 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.64 |
| ▸ | NAMPT | P43490 | 3/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16628727 | 0.92 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1 | |
| SCHEMBL27869734 | 0.88 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1NAMPT | |
| SCHEMBL27869740 | 0.88 | HSP90AA1 (0.66) | HSP90AA1HSP90AB1NAMPTTLR8 | |
| SCHEMBL3099258 | 0.87 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1NAMPT | |
| SCHEMBL16628749 | 0.87 | HSP90AA1 (0.73) | HSP90AA1HSP90AB1 | |
| SCHEMBL27869685 | 0.87 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1NAMPT | |
| SCHEMBL27886004 | 0.87 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1NAMPT | |
| SCHEMBL13960641 | 0.86 | HSP90AA1 (0.70) | HSP90AA1HSP90AB1 | |
| SCHEMBL3076546 | 0.85 | HSP90AA1 (0.69) | HSP90AA1HSP90AB1 | |
| SCHEMBL13180105 | 0.84 | HSP90AA1 (0.73) | HSP90AA1HSP90AB1NAMPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2504314-A1 | QUINAZOLINE DERIVATIVES | Merck Patent GmbH (DE) | 2012-10-03 | — | — | EP | claimed |
| WO-2011060873-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-05-26 | — | — | WO | claimed |
| EP-2504314-A1 | QUINAZOLINE DERIVATIVES | Merck Patent GmbH (DE) | 2012-10-03 | — | — | EP | disclosed |
| WO-2011060873-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-05-26 | — | — | WO | disclosed |